Reasons for high-temperature superconductivity in the electron–phonon system of hydrogen sulfide

Abstract

We have calculated the electron and phonon spectra, as well as the densities of the electron and phonon states, of the stable orthorhombic structure of hydrogen sulfide SH2 in the pressure interval 100–180 GPa. It is found that at a pressure of 175 GPa, a set of parallel planes of hydrogen atoms is formed due to a structural modification of the unit cell under pressure with complete accumulation of all hydrogen atoms in these planes. As a result, the electronic properties of the system become quasi-two-dimensional. We have also analyzed the collective synphase and antiphase vibrations of hydrogen atoms in these planes, leading to the occurrence of two high-energy peaks in the phonon density of states.